Y010-1018 Screening compound: 5-ethyl-5-methyl-2-(methylsulfanyl)-5,6-dihydrobenzo[h]quinazolin-4(3H)-one

Y010-1018 Screening compound: 5-ethyl-5-methyl-2-(methylsulfanyl)-5,6-dihydrobenzo[h]quinazolin-4(3H)-one
Y010-1018 Screening compound: 5-ethyl-5-methyl-2-(methylsulfanyl)-5,6-dihydrobenzo[h]quinazolin-4(3H)-one alternative view

Chemical Structure Depiction of ChemDiv screening compound Y010-1018
5-ethyl-5-methyl-2-(methylsulfanyl)-5,6-dihydrobenzo[h]quinazolin-4(3H)-one

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

Y010-1018

Molecular Formula

C16H18N2OS (C16 H18 N2 OS)

Compound Name

5-ethyl-5-methyl-2-(methylsulfanyl)-5,6-dihydrobenzo[h]quinazolin-4(3H)-one

IUPAC name

5-ethyl-5-methyl-2-(methylsulfanyl)-3H4H5H6H-benzo[h]quinazolin-4-one

SMILES

CCC(C)(Cc1c2cccc1)C(C(N1)=O)=C2N=C1SC

InChI

InChI=1S/C16H18N2OS/c1-4-16(2)9-10-7-5-6-8-11(10)13-12(16)14(19)18-15(17-13)20-3/h5-8H,4,9H2,1-3H3,(H,17,18,19)/t16-/m0/s1

InChI Key

OHCQAKRPZNYICE-INIZCTEOSA-N

MDL Number (MFCD)

MFCD04007133

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

286.4

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

3.558

Distribution Coefficient, logD

3.414

Water Solubility, LogSw

-3.69

Polar Surface Area

34.630

Acid Dissociation Constant (pKa)

7.81

Base Dissociation Constant (pKb)

4.73

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

37.50

Y010-1018 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with Y010-1018 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y010-1018?
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What is the minimum amount of Y010-1018 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y010-1018
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y010-1018
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of Y010-1018 available by request